Geometry & MOs

Info

ID:	208557
PubChem CID:	80544313
Reduced:	ON2C11H24 (1)
Stoich.:	AB2C11D24 (1)
Weight, g/mol:	202.15037
ΔH_f, kcal/mol:	-66.62
Dipole, Da:	2.11
IP(EA), eV:	-8.52(2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(1,4-thiazepan-4-yl)butan-1-amine

Drug info:

PubChemData

Smile

CCC1COCCN1CC(C)CCN

DOS

IR

Vibrations